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5-(2-Chloroethyl)bicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 7cG5U8VlGRJ
InChI InChI=1S/C9H13Cl/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7-,8+,9-/m0/s1
InChIKey JCHDZHTVBMCNRM-YIZRAAEISA-N
Mol Weight 156.66 g/mol
Molecular Formula C9H13Cl
Exact Mass 156.070578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DJ7ZVrhM0ji
Name 5-(2-Chloroethyl)bicyclo[2.2.1]hept-2-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.070578119 u
Formula C9H13Cl
InChI InChI=1S/C9H13Cl/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7-,8+,9-/m0/s1
InChIKey JCHDZHTVBMCNRM-YIZRAAEISA-N
Molecular Weight 156.656 g/mol
SMILES C=1[C@]2([C@@](CCCl)(C[C@@](C1)(C2)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935074